Structure of PDB 3q8u Chain F Binding Site BS02

Receptor Information

>3q8u Chain F (length=149) Species: 93062 (Staphylococcus aureus subsp. aureus COL)

MERTFLMIKPDAVQRNLIGEVISRIERKGLKLVGGKLMQVPMELAETHYG
EHQGKPFYNDLISFITSAPVFAMVVEGEDAVNVSRHIIGSTNPSEASPGS
IRGDLGLTVGRNIIHGSDSLESAEREINLWFNENEITSYASPRDAWLYE

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3q8u Chain F Residue 159

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3q8u Conformational basis for substrate recognition and regulation of catalytic activity in Staphylococcus aureus nucleoside di-phosphate kinase.
• Resolution: 2.22 Å
• Binding residue (original residue number in PDB): E51 D118
• Binding residue (residue number reindexed from 1): E51 D118
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K9 Y49 N112 H115 E126
• Catalytic site (residue number reindexed from 1): K9 Y49 N112 H115 E126
• Enzyme Commision number: 2.7.4.6: nucleoside-diphosphate kinase.

Gene Ontology

Molecular Function

• GO:0004550 nucleoside diphosphate kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006183 GTP biosynthetic process
• GO:0006228 UTP biosynthetic process
• GO:0006241 CTP biosynthetic process
• GO:0009117 nucleotide metabolic process
• GO:0009142 nucleoside triphosphate biosynthetic process
• GO:0016310 phosphorylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3q8u, PDBe:3q8u, PDBj:3q8u
• PDBsum: 3q8u
• PubMed: 21745603
• UniProt: Q5HFV4|NDK_STAAC Nucleoside diphosphate kinase (Gene Name=ndk)